5-methylidene-2-methylsulfanyl-4H-1,3-thiazole

C5H7NS2 — CID 20643165

IUPAC5-methylidene-2-methylsulfanyl-4H-1,3-thiazole
SMILESC=C1CN=C(SC)S1
InChIInChI=1S/C5H7NS2/c1-4-3-6-5(7-2)8-4/h1,3H2,2H3
InChIKeyCECZZIWPNHGLLI-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.97
Rot. Bonds

About 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole

5-methylidene-2-methylsulfanyl-4H-1,3-thiazole (PubChem CID 20643165) has the molecular formula C5H7NS2 and a molecular weight of 145.25 g/mol. Its IUPAC name is 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole.

Molecular Properties

Compound Name5-methylidene-2-methylsulfanyl-4H-1,3-thiazole
PubChem CID20643165
Molecular FormulaC5H7NS2
Molecular Weight145.25 g/mol
Exact Mass145.00
IUPAC Name5-methylidene-2-methylsulfanyl-4H-1,3-thiazole
SMILESC=C1CN=C(SC)S1
InChIInChI=1S/C5H7NS2/c1-4-3-6-5(7-2)8-4/h1,3H2,2H3
InChIKeyCECZZIWPNHGLLI-UHFFFAOYSA-N
XLogP1.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole?
The IUPAC name of 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole (CID 20643165) is 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole.
What is the SMILES notation for 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole?
The canonical SMILES for 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole is C=C1CN=C(SC)S1.
What is the InChIKey of 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole?
The InChIKey is CECZZIWPNHGLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c1-4-3-6-5(7-2)8-4/h1,3H2,2H3.
What are the key properties of 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole?
5-methylidene-2-methylsulfanyl-4H-1,3-thiazole has a molecular weight of 145.25 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-methylsulfanyl-4H-1,3-thiazole is sourced from PubChem (CID 20643165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).